[4-(1H-imidazol-1-ylmethyl)phenyl]methanol

• ChemBase ID: 92514
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1cn(cc1)Cc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)Cn1cncc1
• InChI: InChI=1S/C11H12N2O/c14-8-11-3-1-10(2-4-11)7-13-6-5-12-9-13/h1-6,9,14H,7-8H2
• InChIKey: FSLVBXCLXDGFRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(1H-imidazol-1-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [4-(imidazol-1-ylmethyl)phenyl]methanol
• Synonyms: [4-(1H-imidazol-1-ylmethyl)phenyl]methanol; [4-(1H-Imidazol-1-ylmethyl)phenyl]methanol 97%

Database IDs

• CAS Number: 103573-92-8
• MDL Number: MFCD08271921
• PubChem SID: 162079212
• PubChem CID: 15594569

CALCULATED PROPERTIES

• Acid pKa: 15.035731
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5074118
• LogD (pH = 7.4): 0.97201085
• Log P: 1.0355752
• Molar Refractivity: 55.338 cm^3
• Polarizability: 20.950132 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64.5-67.5°C

Product Information

• Purity: 97%